ChemSpider 2D Image | 24-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]tetracosanamide | C42H85NO5

24-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]tetracosanamide

  • Molecular FormulaC42H85NO5
  • Average mass684.128 Da
  • Monoisotopic mass683.642761 Da
  • ChemSpider ID23106996

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

24-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]tetracosanamid [German] [ACD/IUPAC Name]
24-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]tetracosanamide [ACD/IUPAC Name]
24-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadécanyl]tétracosanamide [French] [ACD/IUPAC Name]
Tetracosanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-24-hydroxy- [ACD/Index Name]
24-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]tetracosanamide
Cer(t18:0/24:0(2-OH))
cer3_24
ceramide-3 (phytosphingosine:N-C24:0OH)
ceramide-3 (phytosphingosine:N-C24:2OH)
ceramide-3 (phytosphingosine:NC24:omegaOH)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 802.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.9±6.0 kJ/mol
Flash Point: 439.1±34.3 °C
Index of Refraction: 1.486
Molar Refractivity: 206.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 14.81
ACD/LogD (pH 5.5): 12.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 110 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 718.9±3.0 cm3

Click to predict properties on the Chemicalize site


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